CID 319640

89033-55-6

Structural Information

Molecular Formula

C₄H₅N₅O₂

SMILES

C1(=C(NC(=O)N=C1N)N)N=O

InChI

InChI=1S/C4H5N5O2/c5-2-1(9-11)3(6)8-4(10)7-2/h(H5,5,6,7,8,10)

InChIKey

PIWUDVSEKJAPLD-UHFFFAOYSA-N

Compound name

4,6-diamino-5-nitroso-1H-pyrimidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 155.04433 Da
Monoisotopic Mass: -1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	156.05161	127.2
[M+Na]+	178.03355	137.5
[M-H]-	154.03705	128.7
[M+NH4]+	173.07815	144.6
[M+K]+	194.00749	135.3
[M+H-H2O]+	138.04159	119.8
[M+HCOO]-	200.04253	153.3
[M+CH3COO]-	214.05818	181.6
[M+Na-2H]-	176.01900	134.7
[M]+	155.04378	124.6
[M]-	155.04488	124.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe